Geometry & MOs

Info

ID:	204385
PubChem CID:	79958247
Reduced:	NSC17H31 (1)
Stoich.:	ABC17D31 (1)
Weight, g/mol:	216.16602
ΔH_f, kcal/mol:	-47.17
Dipole, Da:	2.28
IP(EA), eV:	-8.43(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-5,5-dimethyl-N-propylthian-3-amine

Drug info:

PubChemData

Smile

CC1(CC(CSC1)NC2C(C3CCC2(C3)C)(C)C)C

DOS

IR

Vibrations