Geometry & MOs

Info

ID:	438397
PubChem CID:	135228134
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	310.215747
ΔH_f, kcal/mol:	-98.13
Dipole, Da:	3.69
IP(EA), eV:	-8.5(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N,1,1-trimethyl-2,5-dihydro-[1,3]diazepino[4,5-c]quinolin-6-amine

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2NC(=O)[C@H](C(C)C)N

DOS

IR

Vibrations