Geometry & MOs

Info

ID:	121844
PubChem CID:	50783589
Reduced:	NOC7H8 (4)
Stoich.:	ABC7D8 (4)
Weight, g/mol:	380.164854
ΔH_f, kcal/mol:	-103.79
Dipole, Da:	6.99
IP(EA), eV:	-8.3(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(3-methoxypropyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2CCN(CC2)C3=NC4=C(C=C(C=C4)NC(=O)C5CCCC5)C(=C3)C(=O)O

DOS

IR

Vibrations