Geometry & MOs

Info

ID:	426013
PubChem CID:	135134883
Reduced:	ClO3N7C23H26 (1)
Stoich.:	AB3C7D23E26 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	35.85
Dipole, Da:	5.59
IP(EA), eV:	-8.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC(=C(C=N2)C(=O)C3=CC=CC=C3Cl)NC4=NNC(=C4[N+](=O)[O-])C

DOS

IR

Vibrations