Geometry & MOs

Info

ID:	197521
PubChem CID:	78974325
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	212.225249
ΔH_f, kcal/mol:	-55.95
Dipole, Da:	7.76
IP(EA), eV:	-9.0(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-cyclopropyl-3-methyl-1-N-(3-methylbutyl)butane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)CCN(C1CC1)C2=CC(=NC=C2)C(=O)O

DOS

IR

Vibrations