Geometry & MOs

Info

ID:	346475
PubChem CID:	127270979
Reduced:	ON3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-5.73
Dipole, Da:	4.77
IP(EA), eV:	-8.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

Drug info:

PubChemData

Smile

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)N3CCCC3CN4CCCC4)C

DOS

IR

Vibrations