Geometry & MOs

Info

ID:	371342
PubChem CID:	127345792
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-160.34
Dipole, Da:	4.97
IP(EA), eV:	-8.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)CC2CCOC2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations