Geometry & MOs

Info

ID:	312430
PubChem CID:	126604823
Reduced:	NS2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	167.1674
ΔH_f, kcal/mol:	57.16
Dipole, Da:	3.31
IP(EA), eV:	-8.14(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-but-1-enyl]-5-methylhex-4-en-2-amine

Drug info:

PubChemData

Smile

CC1C=C2CCC(=C(C2C=CS1)SN=C)C

DOS

IR

Vibrations