Geometry & MOs

Info

ID:	94812
PubChem CID:	50004015
Reduced:	O4N5C33H45 (1)
Stoich.:	A4B5C33D45 (1)
Weight, g/mol:	508.304956
ΔH_f, kcal/mol:	-170.26
Dipole, Da:	3.35
IP(EA), eV:	-9.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCCC4

DOS

IR

Vibrations