Geometry & MOs

Info

ID:	427071
PubChem CID:	135155325
Reduced:	ON2C9H10 (3)
Stoich.:	AB2C9D10 (3)
Weight, g/mol:	458.289306
ΔH_f, kcal/mol:	-33.55
Dipole, Da:	2.31
IP(EA), eV:	-7.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

formic acid;10-methoxy-N-propan-2-yl-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-amine

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2=NC(=NC=C2)NCCC3=CC=C(C=C3)NC4=CC=C(C=C4)NC(=O)C=C

DOS

IR

Vibrations