Geometry & MOs

Info

ID:	274476
PubChem CID:	103809582
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	198.173213
ΔH_f, kcal/mol:	-87.9
Dipole, Da:	4.54
IP(EA), eV:	-9.14(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCCN2

DOS

IR

Vibrations