Geometry & MOs

Info

ID:	363132
PubChem CID:	127310165
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-84.53
Dipole, Da:	4.74
IP(EA), eV:	-8.87(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CCCC2)C(=O)N3CCOC(C3)CN4C=C(C=N4)C)OC

DOS

IR

Vibrations