Geometry & MOs

Info

ID:	14083
PubChem CID:	403777
Reduced:	N3O3H23C25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	-1.21
Dipole, Da:	4.65
IP(EA), eV:	-8.39(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzoxazin-1-yl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2C3=CC=C(N3C4=CC=CC=C4O2)CNC5=CC=CC=N5

DOS

IR

Vibrations