Geometry & MOs

Info

ID:	172315
PubChem CID:	75496964
Reduced:	NO2C20H27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-54.33
Dipole, Da:	2.97
IP(EA), eV:	-8.67(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[(4-pyrazin-2-yloxyphenyl)methyl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)N(CC1=CC=CC=C1)CC2=CC=CC=C2OC

DOS

IR

Vibrations