Geometry & MOs

Info

ID:	70565
PubChem CID:	48413521
Reduced:	O2N3C19H31 (1)
Stoich.:	A2B3C19D31 (1)
Weight, g/mol:	303.20591
ΔH_f, kcal/mol:	-111.12
Dipole, Da:	2.99
IP(EA), eV:	-8.57(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-2H-benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=C(C2=C(N1)CCCC2=O)C

DOS

IR

Vibrations