Geometry & MOs

Info

ID:	189174
PubChem CID:	77824796
Reduced:	BN2O2C12H24 (1)
Stoich.:	AB2C2D12E24 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-118.28
Dipole, Da:	3.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752593
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-N-(1-phenylethyl)butanamide

Drug info:

PubChemData

Smile

[B](C(CC1CCC(CC1)C)C(=O)NC)OCN

DOS

IR

Vibrations