Geometry & MOs

Info

ID:	160775
PubChem CID:	57389740
Reduced:	FON6H25C28 (1)
Stoich.:	ABC6D25E28 (1)
Weight, g/mol:	510.237939
ΔH_f, kcal/mol:	77.2
Dipole, Da:	2.1
IP(EA), eV:	-9.19(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(6,7-dimethoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-N-ethyl-1H-benzimidazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)N2CCOC3=C(C2)C=C(C=C3)C4=CC5=C(C=C4)N=NC5N)CC6=CC=C(C=C6)F

DOS

IR

Vibrations