Geometry & MOs

Info

ID:	157599
PubChem CID:	56435971
Reduced:	OS2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	31.84
Dipole, Da:	3.18
IP(EA), eV:	-8.89(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-oxo-1-phenyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCC(CC2)NC(=O)C3=CN=C(S3)C4=CC=CS4

DOS

IR

Vibrations