Geometry & MOs

Info

ID:	275222
PubChem CID:	103814667
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	6.14
IP(EA), eV:	-8.9(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-methyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC1=CN(C=C1)C)N

DOS

IR

Vibrations