Geometry & MOs

Info

ID:	434321
PubChem CID:	135174685
Reduced:	O2N5C42H61 (1)
Stoich.:	A2B5C42D61 (1)
Weight, g/mol:	415.272259
ΔH_f, kcal/mol:	-37.92
Dipole, Da:	5.42
IP(EA), eV:	-8.07(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(3-methylbutan-2-yl)-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN2CCC(CC2)CC3CN(CCN3CCCOC4=C(C=C(C=C4)C)C5=C(C=CC(=C5)C)N6CCN(CC6)C)C

DOS

IR

Vibrations